diethyl 3,4-dihydropyridine-3,5-dicarboxylate

C11H15NO4 — CID 54502633

IUPACdiethyl 3,4-dihydropyridine-3,5-dicarboxylate
SMILESCCOC(=O)C1=CN=CC(C(=O)OCC)C1
InChIInChI=1S/C11H15NO4/c1-3-15-10(13)8-5-9(7-12-6-8)11(14)16-4-2/h6-8H,3-5H2,1-2H3
InChIKeyYDNBONPYYPARLT-UHFFFAOYSA-N
MW225.24 g/mol
LogP1.09
Rot. Bonds4

About diethyl 3,4-dihydropyridine-3,5-dicarboxylate

diethyl 3,4-dihydropyridine-3,5-dicarboxylate (PubChem CID 54502633) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is diethyl 3,4-dihydropyridine-3,5-dicarboxylate.

Molecular Properties

Compound Namediethyl 3,4-dihydropyridine-3,5-dicarboxylate
PubChem CID54502633
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Namediethyl 3,4-dihydropyridine-3,5-dicarboxylate
SMILESCCOC(=O)C1=CN=CC(C(=O)OCC)C1
InChIInChI=1S/C11H15NO4/c1-3-15-10(13)8-5-9(7-12-6-8)11(14)16-4-2/h6-8H,3-5H2,1-2H3
InChIKeyYDNBONPYYPARLT-UHFFFAOYSA-N
XLogP1.09
TPSA64.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of diethyl 3,4-dihydropyridine-3,5-dicarboxylate?
The IUPAC name of diethyl 3,4-dihydropyridine-3,5-dicarboxylate (CID 54502633) is diethyl 3,4-dihydropyridine-3,5-dicarboxylate.
What is the SMILES notation for diethyl 3,4-dihydropyridine-3,5-dicarboxylate?
The canonical SMILES for diethyl 3,4-dihydropyridine-3,5-dicarboxylate is CCOC(=O)C1=CN=CC(C(=O)OCC)C1.
What is the InChIKey of diethyl 3,4-dihydropyridine-3,5-dicarboxylate?
The InChIKey is YDNBONPYYPARLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c1-3-15-10(13)8-5-9(7-12-6-8)11(14)16-4-2/h6-8H,3-5H2,1-2H3.
What are the key properties of diethyl 3,4-dihydropyridine-3,5-dicarboxylate?
diethyl 3,4-dihydropyridine-3,5-dicarboxylate has a molecular weight of 225.24 g/mol, XLogP of 1.09, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 3,4-dihydropyridine-3,5-dicarboxylate is sourced from PubChem (CID 54502633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).